Geometry & MOs

Info

ID:	129265
PubChem CID:	51072100
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	463.160696
ΔH_f, kcal/mol:	-120.13
Dipole, Da:	4.88
IP(EA), eV:	-7.94(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;butan-1-ol;3-[1-(4-nitrophenyl)-3-oxopentyl]-2-oxochromen-4-olate

Drug info:

PubChemData

Smile

CS(=O)(=O)O.C1CCC(C1)C2=CC3=C(C=C2)N4CCNC5C4=C3CCC5

DOS

IR

Vibrations